2-[[[5-(3-methoxyphenyl)isoquinolin-8-yl]methylamino]methyl]phenol

C24H22N2O2 — CID 42797606

IUPAC2-[[[5-(3-methoxyphenyl)isoquinolin-8-yl]methylamino]methyl]phenol
SMILESCOc1cccc(-c2ccc(CNCc3ccccc3O)c3cnccc23)c1
InChIInChI=1S/C24H22N2O2/c1-28-20-7-4-6-17(13-20)21-10-9-18(23-16-25-12-11-22(21)23)14-26-15-19-5-2-3-8-24(19)27/h2-13,16,26-27H,14-15H2,1H3
InChIKeyYBUBKRZZZDVKQU-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.91
Rot. Bonds6

About 2-[[[5-(3-methoxyphenyl)isoquinolin-8-yl]methylamino]methyl]phenol

2-[[[5-(3-methoxyphenyl)isoquinolin-8-yl]methylamino]methyl]phenol (PubChem CID 42797606) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[[[5-(3-methoxyphenyl)isoquinolin-8-yl]methylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[[5-(3-methoxyphenyl)isoquinolin-8-yl]methylamino]methyl]phenol
PubChem CID42797606
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name2-[[[5-(3-methoxyphenyl)isoquinolin-8-yl]methylamino]methyl]phenol
SMILESCOc1cccc(-c2ccc(CNCc3ccccc3O)c3cnccc23)c1
InChIInChI=1S/C24H22N2O2/c1-28-20-7-4-6-17(13-20)21-10-9-18(23-16-25-12-11-22(21)23)14-26-15-19-5-2-3-8-24(19)27/h2-13,16,26-27H,14-15H2,1H3
InChIKeyYBUBKRZZZDVKQU-UHFFFAOYSA-N
XLogP4.91
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-(2-hydroxyphenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]benzamide
CID 118928930
(2R)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylpropanamide
CID 125465641
N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-3-phenylpyridine-4-carboxamide
CID 118916588
1-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-3-(4-methylphenyl)urea
CID 7261153
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]propanamide
CID 118916533
N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 118916626
5-bromo-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylpyridine-3-carboxamide
CID 118916591
N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 118916555
5-(3-methoxyphenyl)-8-[(2-phenylpyrrolidin-1-yl)methyl]isoquinoline
CID 118916643
N-[(3-methylphenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine
CID 7356370
N-[(2-fluorophenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine
CID 42797597
2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]cyclopropane-1-carboxamide
CID 118928846

Frequently Asked Questions

What is the IUPAC name of 2-[[[5-(3-methoxyphenyl)isoquinolin-8-yl]methylamino]methyl]phenol?
The IUPAC name of 2-[[[5-(3-methoxyphenyl)isoquinolin-8-yl]methylamino]methyl]phenol (CID 42797606) is 2-[[[5-(3-methoxyphenyl)isoquinolin-8-yl]methylamino]methyl]phenol.
What is the SMILES notation for 2-[[[5-(3-methoxyphenyl)isoquinolin-8-yl]methylamino]methyl]phenol?
The canonical SMILES for 2-[[[5-(3-methoxyphenyl)isoquinolin-8-yl]methylamino]methyl]phenol is COc1cccc(-c2ccc(CNCc3ccccc3O)c3cnccc23)c1.
What is the InChIKey of 2-[[[5-(3-methoxyphenyl)isoquinolin-8-yl]methylamino]methyl]phenol?
The InChIKey is YBUBKRZZZDVKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-28-20-7-4-6-17(13-20)21-10-9-18(23-16-25-12-11-22(21)23)14-26-15-19-5-2-3-8-24(19)27/h2-13,16,26-27H,14-15H2,1H3.
What are the key properties of 2-[[[5-(3-methoxyphenyl)isoquinolin-8-yl]methylamino]methyl]phenol?
2-[[[5-(3-methoxyphenyl)isoquinolin-8-yl]methylamino]methyl]phenol has a molecular weight of 370.45 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-(3-methoxyphenyl)isoquinolin-8-yl]methylamino]methyl]phenol is sourced from PubChem (CID 42797606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).